Geometry & MOs

Info

ID:	143760
PubChem CID:	53257023
Reduced:	ClOSN3H14C21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	485.066854
ΔH_f, kcal/mol:	97.15
Dipole, Da:	3.59
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=CSC=C4

DOS

IR

Vibrations